SCHEMBL3882153

SCHEMBL3882153

CC(Cc1cc(F)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.41
APP P05067 1/20 0.41
AR P10275 4/20 0.40
CACNA1H O95180 1/20 0.39
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
FASN P49327 3/20 0.38
KDM1A O60341 2/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP11B2 P19099 1/20 0.37
CTSC P53634 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3686308 0.90 AR (0.41) LIPGAPPARCCNCCDK8
SCHEMBL3880452 0.87 THRA (0.44) LIPGARCACNA1HDRD4SIGMAR1
SCHEMBL3889221 0.86 THRA (0.46) LIPGAPPARCACNA1HDRD4
SCHEMBL3888362 0.85 ITGB1 (0.41) LIPGARCACNA1HSIGMAR1TMEM97
SCHEMBL3897875 0.84 ITGB1 (0.42) LIPGAPPARCACNA1HCCNC
SCHEMBL3882157 0.84 CACNA1H (0.42) LIPGARCACNA1HDRD4SIGMAR1
SCHEMBL3893294 0.83 MAPK14 (0.41) APPARCCNCCDK8PTGS1
SCHEMBL3885133 0.79 FFAR4 (0.44) LIPGCCNCCDK8CTSC
SCHEMBL3682581 0.78 THRA (0.46) LIPGARSIGMAR1TMEM97FASN
SCHEMBL3884457 0.77 THRA (0.43) APPCACNA1H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed